N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea

C103H137N29O10S4 — CID 157144296

IUPACN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CCC4)c3)s2)n(CC2CC2)n1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1
InChIInChI=1S/C27H35N7O2S.C26H35N7O3S.C25H34N8O2S.C25H33N7O3S/c1-27(2,3)21-14-23(34(33-21)16-18-7-8-18)31-25(36)32-26-29-15-20(37-26)10-9-17-11-12-28-22(13-17)30-24(35)19-5-4-6-19;1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4;1-5-26-22(34)29-20-12-16(10-11-27-20)8-9-18-14-28-24(36-18)31-23(35)30-21-13-19(25(2,3)4)32-33(21)15-17-6-7-17;1-25(2,3)19-12-21(32(31-19)14-17-5-6-17)29-23(34)30-24-27-13-18(36-24)8-7-16-9-10-26-20(11-16)28-22(33)15-35-4/h11-15,18-19H,4-10,16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(H,27,29,34)(H2,28,30,31,35);10-14,17H,5-9,15H2,1-4H3,(H2,26,27,29,34)(H2,28,30,31,35);9-13,17H,5-8,14-15H2,1-4H3,(H,26,28,33)(H2,27,29,30,34)
InChIKeyAKNPLEGRXBWDLN-UHFFFAOYSA-N
MW2069.69 g/mol
LogP19.93
Rot. Bonds39

About N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea

N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea (PubChem CID 157144296) has the molecular formula C103H137N29O10S4 and a molecular weight of 2069.69 g/mol. Its IUPAC name is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea
PubChem CID157144296
Molecular FormulaC103H137N29O10S4
Molecular Weight2069.69 g/mol
Exact Mass2068.00
IUPAC NameN-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CCC4)c3)s2)n(CC2CC2)n1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1
InChIInChI=1S/C27H35N7O2S.C26H35N7O3S.C25H34N8O2S.C25H33N7O3S/c1-27(2,3)21-14-23(34(33-21)16-18-7-8-18)31-25(36)32-26-29-15-20(37-26)10-9-17-11-12-28-22(13-17)30-24(35)19-5-4-6-19;1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4;1-5-26-22(34)29-20-12-16(10-11-27-20)8-9-18-14-28-24(36-18)31-23(35)30-21-13-19(25(2,3)4)32-33(21)15-17-6-7-17;1-25(2,3)19-12-21(32(31-19)14-17-5-6-17)29-23(34)30-24-27-13-18(36-24)8-7-16-9-10-26-20(11-16)28-22(33)15-35-4/h11-15,18-19H,4-10,16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(H,27,29,34)(H2,28,30,31,35);10-14,17H,5-9,15H2,1-4H3,(H2,26,27,29,34)(H2,28,30,31,35);9-13,17H,5-8,14-15H2,1-4H3,(H,26,28,33)(H2,27,29,30,34)
InChIKeyAKNPLEGRXBWDLN-UHFFFAOYSA-N
XLogP19.93
TPSA485.81 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds39
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.69
LogP ≤ 519.93
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide
CID 157235809
N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-[(2-methoxyacetyl)amino]-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 157338948
N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]oxane-4-carboxamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;methyl N-[4-[2-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
CID 157710538
N-[5-[2-(2-acetamido-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-2-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide;N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
CID 158504112
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-hydroxyacetamide
CID 158800774
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]pyrrolidine-1-carboxamide;ethyl N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
CID 159009421
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methylpropanamide
CID 159014611
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-(5-tert-butyl-1H-pyrazol-3-yl)urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide
CID 159431659
1-[5-[2-(2-amino-4-pyridinyl)ethyl]-1,3-thiazol-2-yl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]propanamide;1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea
CID 160658066
N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclopropanecarboxamide;1-(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)-3-[5-(2-pyridin-4-ylethyl)-1,3-thiazol-2-yl]urea;N-[4-[2-[2-[[3-(3-methyloxetan-3-yl)-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide
CID 160681887
N-[4-[2-[2-[[2-(3-tert-butyl-1-methylpyrazol-5-yl)acetyl]amino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]acetamide;ethyl N-[4-[2-[2-[(3-tert-butyl-1-propan-2-ylpyrazol-5-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;ethyl N-[4-[2-[2-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate
CID 161681300
benzyl N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]carbamate;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]acetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide
CID 162070789

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea (CID 157144296) is N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea is CC(C)(C)c1cc(NC(=O)Nc2ncc(CCc3ccnc(NC(=O)C4CCC4)c3)s2)n(CC2CC2)n1.CCNC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.COCCC(=O)Nc1cc(CCc2cnc(NC(=O)Nc3cc(C(C)(C)C)nn3CC3CC3)s2)ccn1.
What is the InChIKey of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is AKNPLEGRXBWDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2S.C26H35N7O3S.C25H34N8O2S.C25H33N7O3S/c1-27(2,3)21-14-23(34(33-21)16-18-7-8-18)31-25(36)32-26-29-15-20(37-26)10-9-17-11-12-28-22(13-17)30-24(35)19-5-4-6-19;1-26(2,3)20-14-22(33(32-20)16-18-5-6-18)30-24(35)31-25-28-15-19(37-25)8-7-17-9-11-27-21(13-17)29-23(34)10-12-36-4;1-5-26-22(34)29-20-12-16(10-11-27-20)8-9-18-14-28-24(36-18)31-23(35)30-21-13-19(25(2,3)4)32-33(21)15-17-6-7-17;1-25(2,3)19-12-21(32(31-19)14-17-5-6-17)29-23(34)30-24-27-13-18(36-24)8-7-16-9-10-26-20(11-16)28-22(33)15-35-4/h11-15,18-19H,4-10,16H2,1-3H3,(H,28,30,35)(H2,29,31,32,36);9,11,13-15,18H,5-8,10,12,16H2,1-4H3,(H,27,29,34)(H2,28,30,31,35);10-14,17H,5-9,15H2,1-4H3,(H2,26,27,29,34)(H2,28,30,31,35);9-13,17H,5-8,14-15H2,1-4H3,(H,26,28,33)(H2,27,29,30,34).
What are the key properties of N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea?
N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 2069.69 g/mol, XLogP of 19.93, 39 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]cyclobutanecarboxamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-2-methoxyacetamide;N-[4-[2-[2-[[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]carbamoylamino]-1,3-thiazol-5-yl]ethyl]-2-pyridinyl]-3-methoxypropanamide;1-[3-tert-butyl-1-(cyclopropylmethyl)pyrazol-5-yl]-3-[5-[2-[2-(ethylcarbamoylamino)-4-pyridinyl]ethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 157144296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).